2-methyl-4-[3-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrrolidin-1-yl]aniline chloride

Systemtic Name: 2-methyl-4-[3-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrrolidin-1-yl]aniline chloride Openeye Name: 2-methyl-4-[3-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrrolidin-1-yl]aniline chloride CAS Name: 2-methyl-4-[3-[3-(3-methyl-1-imidazol-3-iumyl)propoxy]-1-pyrrolidinyl]aniline chloride IUPAC Name: 2-methyl-4-[3-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrrolidin-1-yl]aniline chloride Traditional Name: [2-methyl-4-[3-[3-(3-methylimidazol-3-ium-1-yl)propoxy]pyrrolidino]phenyl]amine chloride Formula: C18H27ClN4O MolecularWeight: 350.88618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCC(C2)OCCCN3C=C[N+](=C3)C)N.[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCC(C2)OCCCN3C=C[N+](=C3)C)N.[Cl-]

InChI

InChI=1S/C18H27N4O.ClH/c1-15-12-16(4-5-18(15)19)22-8-6-17(13-22)23-11-3-7-21-10-9-20(2)14-21;/h4-5,9-10,12,14,17H,3,6-8,11,13,19H2,1-2H3;1H/q+1;/p-1